Geometry & MOs

Info

ID:	446586
PubChem CID:	135276228
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	400.258674
ΔH_f, kcal/mol:	4.41
Dipole, Da:	6.4
IP(EA), eV:	-9.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-ethanimidoyl-3-imino-7-methoxy-6-methylquinoxalin-2-yl)amino]butyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2OCCCCN

DOS

IR

Vibrations